1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride

C14H23ClN2O2S — CID 119980583

IUPAC1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CC(C)NC(C)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-4-13-5-7-14(8-6-13)19(17,18)16-9-11(2)15-12(3)10-16;/h5-8,11-12,15H,4,9-10H2,1-3H3;1H
InChIKeyFQCPFGGFPSPHFJ-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride

1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride (PubChem CID 119980583) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
PubChem CID119980583
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
SMILESCCc1ccc(S(=O)(=O)N2CC(C)NC(C)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-4-13-5-7-14(8-6-13)19(17,18)16-9-11(2)15-12(3)10-16;/h5-8,11-12,15H,4,9-10H2,1-3H3;1H
InChIKeyFQCPFGGFPSPHFJ-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534
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CID 63872528
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CID 43598536
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
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1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
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1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride (CID 119980583) is 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride is CCc1ccc(S(=O)(=O)N2CC(C)NC(C)C2)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride?
The InChIKey is FQCPFGGFPSPHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-4-13-5-7-14(8-6-13)19(17,18)16-9-11(2)15-12(3)10-16;/h5-8,11-12,15H,4,9-10H2,1-3H3;1H.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride?
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 119980583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).